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123-24-0 | 6-Tridecanol, 3,9-diethyl-
CAS No: 123-24-0 Catalog No: AG000JWE MDL No:
Product Description
Catalog Number:
AG000JWE
Chemical Name:
6-Tridecanol, 3,9-diethyl-
CAS Number:
123-24-0
Molecular Formula:
C17H36O
Molecular Weight:
256.4671
IUPAC Name:
3,9-diethyltridecan-6-ol
InChI:
InChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3
InChI Key:
NWDHHLKROQOLMQ-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(CCC(CC)CC)O)CC
NSC Number:
15724
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.277g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.474g/mol
Monoisotopic Mass:
256.277g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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